Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques
Autor(a) principal: | |
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Data de Publicação: | 2010 |
Outros Autores: | , , |
Tipo de documento: | Livro |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | https://hdl.handle.net/10216/77538 |
Resumo: | A recently developed general kinetic approach, based on population balances in terms of generating functions, is applied to the modeling of the molecular architecture of branched copolymers produced through controlled radical polymerization (CRP) techniques, namely nitroxide-mediated radical polymerization (NMRP) and atom-transfer radical polymerization (ATRP). Thanks to this method, it is possible to carry out dynamic predictions of distributions of molecular weights, sequence lengths and z-average mean square radius of gyration of the products, both before and after gelation (whenever it occurs) with consideration of complex kinetic schemes. The model chemical systems styrene + divinylbenzene (S/DVB) and methyl methacrylate + ethylene glycol dimethacrylate (MMA/EGDMA) are experimentally investigated in order to assess the prediction capabilities of the aforementioned approach. Measurements of absolute molecular weights and z-average radius of gyration of the copolymers are performed for different times of polymerization using a SEC system with a refractive index detector coupled with MALLS. It is shown that the proposed computational tool can enhance the possibility of better design of these complex materials but additional studies concerning the impact of intramolecular cyclizations on the structure of materials synthesized at diluted conditions are needed. |
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Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniquesQuímicaChemical sciencesA recently developed general kinetic approach, based on population balances in terms of generating functions, is applied to the modeling of the molecular architecture of branched copolymers produced through controlled radical polymerization (CRP) techniques, namely nitroxide-mediated radical polymerization (NMRP) and atom-transfer radical polymerization (ATRP). Thanks to this method, it is possible to carry out dynamic predictions of distributions of molecular weights, sequence lengths and z-average mean square radius of gyration of the products, both before and after gelation (whenever it occurs) with consideration of complex kinetic schemes. The model chemical systems styrene + divinylbenzene (S/DVB) and methyl methacrylate + ethylene glycol dimethacrylate (MMA/EGDMA) are experimentally investigated in order to assess the prediction capabilities of the aforementioned approach. Measurements of absolute molecular weights and z-average radius of gyration of the copolymers are performed for different times of polymerization using a SEC system with a refractive index detector coupled with MALLS. It is shown that the proposed computational tool can enhance the possibility of better design of these complex materials but additional studies concerning the impact of intramolecular cyclizations on the structure of materials synthesized at diluted conditions are needed.20102010-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bookapplication/pdfhttps://hdl.handle.net/10216/77538eng10.1002/masy.201050528Miguel GonçalvesVirgínia PintoRolando DiasMário Rui Costainfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-11-29T15:28:24Zoai:repositorio-aberto.up.pt:10216/77538Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T00:24:26.775389Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
title |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
spellingShingle |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques Miguel Gonçalves Química Chemical sciences |
title_short |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
title_full |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
title_fullStr |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
title_full_unstemmed |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
title_sort |
Kinetic modeling of the molecular architecture of cross-linked copolymers synthesized by controlled radical polymerization techniques |
author |
Miguel Gonçalves |
author_facet |
Miguel Gonçalves Virgínia Pinto Rolando Dias Mário Rui Costa |
author_role |
author |
author2 |
Virgínia Pinto Rolando Dias Mário Rui Costa |
author2_role |
author author author |
dc.contributor.author.fl_str_mv |
Miguel Gonçalves Virgínia Pinto Rolando Dias Mário Rui Costa |
dc.subject.por.fl_str_mv |
Química Chemical sciences |
topic |
Química Chemical sciences |
description |
A recently developed general kinetic approach, based on population balances in terms of generating functions, is applied to the modeling of the molecular architecture of branched copolymers produced through controlled radical polymerization (CRP) techniques, namely nitroxide-mediated radical polymerization (NMRP) and atom-transfer radical polymerization (ATRP). Thanks to this method, it is possible to carry out dynamic predictions of distributions of molecular weights, sequence lengths and z-average mean square radius of gyration of the products, both before and after gelation (whenever it occurs) with consideration of complex kinetic schemes. The model chemical systems styrene + divinylbenzene (S/DVB) and methyl methacrylate + ethylene glycol dimethacrylate (MMA/EGDMA) are experimentally investigated in order to assess the prediction capabilities of the aforementioned approach. Measurements of absolute molecular weights and z-average radius of gyration of the copolymers are performed for different times of polymerization using a SEC system with a refractive index detector coupled with MALLS. It is shown that the proposed computational tool can enhance the possibility of better design of these complex materials but additional studies concerning the impact of intramolecular cyclizations on the structure of materials synthesized at diluted conditions are needed. |
publishDate |
2010 |
dc.date.none.fl_str_mv |
2010 2010-01-01T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/book |
format |
book |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://hdl.handle.net/10216/77538 |
url |
https://hdl.handle.net/10216/77538 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.1002/masy.201050528 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
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1799136159208570880 |